SCHEMBL9545524

SCHEMBL9545524

CCCC[CH]C(C)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5730896 0.93 TSHR (0.37) TSHRALDH1A1
SCHEMBL28125990 0.84 TSHR (0.30) TSHRALDH1A1
SCHEMBL4620266 0.79
SCHEMBL7173408 0.77 TSHR (0.38) TSHRALDH1A1
SCHEMBL20605268 0.77 TSHR (0.38) TSHRALDH1A1
SCHEMBL28213492 0.76 MEN1 (0.37) TSHRALDH1A1
SCHEMBL11399316 0.76 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL8722493 0.75
SCHEMBL27756231 0.75
SCHEMBL8391507 0.74 ALDH1A1 (0.30) TSHRALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993016033-A1 CYCLOHEXENONE OXIME ETHERS, METHODS OF PREPARING THEM AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1993-08-19 WO disclosed